1-(5-butyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea

Systemtic Name: 1-(5-butyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea Openeye Name: 1-(5-butyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(1-piperidyl)-1-piperidyl]phenyl]urea CAS Name: 1-(5-butyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(1-piperidinyl)-1-piperidinyl]phenyl]urea IUPAC Name: 1-(5-butyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea Traditional Name: 1-(5-butyl-2-keto-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-piperidinopiperidino)phenyl]urea Formula: C33H46N6O2 MolecularWeight: 558.75734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(C(=O)N(C2=CC=CC=C21)CCC)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N5CCCCC5

Isomeric SMILES

CCCCC1=NC(C(=O)N(C2=CC=CC=C21)CCC)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N5CCCCC5

InChI

InChI=1S/C33H46N6O2/c1-3-5-12-29-28-11-7-8-13-30(28)39(20-4-2)32(40)31(35-29)36-33(41)34-25-14-16-26(17-15-25)38-23-18-27(19-24-38)37-21-9-6-10-22-37/h7-8,11,13-17,27,31H,3-6,9-10,12,18-24H2,1-2H3,(H2,34,36,41)