N-[5-cyclohexyl-1-[2-[(4-methoxyphenyl)-propan-2-yl-amino]-2-oxidanylidene-ethyl]-4-oxidanidyl-2-oxidanylidene-3H-1,4-benzodiazepin-4-ium-3-yl]-1H-indole-2-carboxamide

Systemtic Name: N-[5-cyclohexyl-1-[2-[(4-methoxyphenyl)-propan-2-yl-amino]-2-oxidanylidene-ethyl]-4-oxidanidyl-2-oxidanylidene-3H-1,4-benzodiazepin-4-ium-3-yl]-1H-indole-2-carboxamide Openeye Name: N-[5-cyclohexyl-1-[2-(N-isopropyl-4-methoxy-anilino)-2-oxo-ethyl]-4-oxido-2-oxo-3H-1,4-benzodiazepin-4-ium-3-yl]-1H-indole-2-carboxamide CAS Name: N-[5-cyclohexyl-1-[2-(4-methoxy-N-propan-2-ylanilino)-2-oxoethyl]-4-oxido-2-oxo-3H-1,4-benzodiazepin-4-ium-3-yl]-1H-indole-2-carboxamide IUPAC Name: N-[5-cyclohexyl-1-[2-(4-methoxy-N-propan-2-ylanilino)-2-oxoethyl]-4-oxido-2-oxo-3H-1,4-benzodiazepin-4-ium-3-yl]-1H-indole-2-carboxamide Traditional Name: N-[5-cyclohexyl-1-[2-(N-isopropyl-4-methoxy-anilino)-2-keto-ethyl]-2-keto-4-oxido-3H-1,4-benzodiazepin-4-ium-3-yl]-1H-indole-2-carboxamide Formula: C36H39N5O5 MolecularWeight: 621.72536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)OC)C(=O)CN2C3=CC=CC=C3C(=[N+](C(C2=O)NC(=O)C4=CC5=CC=CC=C5N4)[O-])C6CCCCC6

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)OC)C(=O)CN2C3=CC=CC=C3C(=[N+](C(C2=O)NC(=O)C4=CC5=CC=CC=C5N4)[O-])C6CCCCC6

InChI

InChI=1S/C36H39N5O5/c1-23(2)40(26-17-19-27(46-3)20-18-26)32(42)22-39-31-16-10-8-14-28(31)33(24-11-5-4-6-12-24)41(45)34(36(39)44)38-35(43)30-21-25-13-7-9-15-29(25)37-30/h7-10,13-21,23-24,34,37H,4-6,11-12,22H2,1-3H3,(H,38,43)