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

Systemtic Name: 1-(2-oxidanylidene-5-propan-2-yl-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea Openeye Name: 1-(5-isopropyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(1-piperidyl)-1-piperidyl]phenyl]urea CAS Name: 1-(2-oxo-5-propan-2-yl-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(1-piperidinyl)-1-piperidinyl]phenyl]urea IUPAC Name: 1-(2-oxo-5-propan-2-yl-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea Traditional Name: 1-(5-isopropyl-2-keto-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-piperidinopiperidino)phenyl]urea Formula: C32H44N6O2 MolecularWeight: 544.73076

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N5CCCCC5)C(C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N5CCCCC5)C(C)C

InChI

InChI=1S/C32H44N6O2/c1-4-18-38-28-11-7-6-10-27(28)29(23(2)3)34-30(31(38)39)35-32(40)33-24-12-14-25(15-13-24)37-21-16-26(17-22-37)36-19-8-5-9-20-36/h6-7,10-15,23,26,30H,4-5,8-9,16-22H2,1-3H3,(H2,33,35,40)