3-(cyclopropylmethyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propyl-butanediamide

Systemtic Name: 3-(cyclopropylmethyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propyl-butanediamide Openeye Name: 3-(cyclopropylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propyl-butanediamide CAS Name: 3-(cyclopropylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propylbutanediamide IUPAC Name: 3-(cyclopropylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propylbutanediamide Traditional Name: 3-(cyclopropylmethyl)-N'-[2-keto-1-(3-phenoxybenzyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propyl-succinamide Formula: C39H40N4O4 MolecularWeight: 628.7593

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC1CC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=CC(=CC=C5)OC6=CC=CC=C6)C(=O)N

Isomeric SMILES

CCCC(C(CC1CC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=CC(=CC=C5)OC6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C39H40N4O4/c1-2-12-31(36(40)44)33(24-26-21-22-26)38(45)42-37-39(46)43(25-27-13-11-18-30(23-27)47-29-16-7-4-8-17-29)34-20-10-9-19-32(34)35(41-37)28-14-5-3-6-15-28/h3-11,13-20,23,26,31,33,37H,2,12,21-22,24-25H2,1H3,(H2,40,44)(H,42,45)