1-[(3S)-1-(2-cyclohexyl-2-oxidanylidene-ethyl)-5-ethyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-[(1S)-1-phenylethyl]urea

Systemtic Name: 1-[(3S)-1-(2-cyclohexyl-2-oxidanylidene-ethyl)-5-ethyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-[(1S)-1-phenylethyl]urea Openeye Name: 1-[(3S)-1-(2-cyclohexyl-2-oxo-ethyl)-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[(1S)-1-phenylethyl]urea CAS Name: 1-[(3S)-1-(2-cyclohexyl-2-oxoethyl)-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[(1S)-1-phenylethyl]urea IUPAC Name: 1-[(3S)-1-(2-cyclohexyl-2-oxoethyl)-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[(1S)-1-phenylethyl]urea Traditional Name: 1-[(3S)-1-(2-cyclohexyl-2-keto-ethyl)-5-ethyl-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]-3-[(1S)-1-phenylethyl]urea Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(C(=O)N(C2=C1C=CC=C2C)CC(=O)C3CCCCC3)NC(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCC1=N[C@@H](C(=O)N(C2=C1C=CC=C2C)CC(=O)C3CCCCC3)NC(=O)N[C@@H](C)C4=CC=CC=C4

InChI

InChI=1S/C29H36N4O3/c1-4-24-23-17-11-12-19(2)26(23)33(18-25(34)22-15-9-6-10-16-22)28(35)27(31-24)32-29(36)30-20(3)21-13-7-5-8-14-21/h5,7-8,11-14,17,20,22,27H,4,6,9-10,15-16,18H2,1-3H3,(H2,30,32,36)/t20-,27+/m0/s1