4-(5-tert-butyl-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]butanamide

Systemtic Name: 4-(5-tert-butyl-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]butanamide Openeye Name: 4-(5-tert-butyl-2-oxo-3H-1,4-benzodiazepin-1-yl)-N-[4-[4-(1-piperidyl)-1-piperidyl]phenyl]butanamide CAS Name: 4-(5-tert-butyl-2-oxo-3H-1,4-benzodiazepin-1-yl)-N-[4-[4-(1-piperidinyl)-1-piperidinyl]phenyl]butanamide IUPAC Name: 4-(5-tert-butyl-2-oxo-3H-1,4-benzodiazepin-1-yl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]butanamide Traditional Name: 4-(5-tert-butyl-2-keto-3H-1,4-benzodiazepin-1-yl)-N-[4-(4-piperidinopiperidino)phenyl]butyramide Formula: C33H45N5O2 MolecularWeight: 543.7427

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NCC(=O)N(C2=CC=CC=C21)CCCC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N5CCCCC5

Isomeric SMILES

CC(C)(C)C1=NCC(=O)N(C2=CC=CC=C21)CCCC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N5CCCCC5

InChI

InChI=1S/C33H45N5O2/c1-33(2,3)32-28-10-5-6-11-29(28)38(31(40)24-34-32)21-9-12-30(39)35-25-13-15-26(16-14-25)37-22-17-27(18-23-37)36-19-7-4-8-20-36/h5-6,10-11,13-16,27H,4,7-9,12,17-24H2,1-3H3,(H,35,39)