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

Systemtic Name: 1-(5-methyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea Openeye Name: 1-(5-methyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(1-piperidyl)-1-piperidyl]phenyl]urea CAS Name: 1-(5-methyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(1-piperidinyl)-1-piperidinyl]phenyl]urea IUPAC Name: 1-(5-methyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea Traditional Name: 1-(2-keto-5-methyl-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-piperidinopiperidino)phenyl]urea Formula: C30H40N6O2 MolecularWeight: 516.6776

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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

Isomeric SMILES

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

InChI

InChI=1S/C30H40N6O2/c1-3-17-36-27-10-6-5-9-26(27)22(2)31-28(29(36)37)33-30(38)32-23-11-13-24(14-12-23)35-20-15-25(16-21-35)34-18-7-4-8-19-34/h5-6,9-14,25,28H,3-4,7-8,15-21H2,1-2H3,(H2,32,33,38)