N-[4-ethanoyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide

Systemtic Name: N-[4-ethanoyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide Openeye Name: N-[4-acetyl-3-benzyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide CAS Name: N-[4-acetyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide IUPAC Name: N-[4-acetyl-3-benzyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide Traditional Name: N-[4-acetyl-3-benzyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide Formula: C29H35N5O2 MolecularWeight: 485.6205

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=C(C=C(C=C2)NC(=O)C3CCCCC3)N(CC1CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

CC(=O)N1CC2=C(C=C(C=C2)NC(=O)C3CCCCC3)N(CC1CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C29H35N5O2/c1-21(35)34-17-24-12-13-25(32-29(36)23-10-6-3-7-11-23)15-28(24)33(18-26-16-30-20-31-26)19-27(34)14-22-8-4-2-5-9-22/h2,4-5,8-9,12-13,15-16,20,23,27H,3,6-7,10-11,14,17-19H2,1H3,(H,30,31)(H,32,36)