1-(3-methylphenyl)-3-[2-oxidanylidene-1-propyl-5-(1,5,5-trimethylazepan-2-yl)-3H-1,4-benzodiazepin-3-yl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[2-oxidanylidene-1-propyl-5-(1,5,5-trimethylazepan-2-yl)-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-(m-tolyl)-3-[2-oxo-1-propyl-5-(1,5,5-trimethylazepan-2-yl)-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(3-methylphenyl)-3-[2-oxo-1-propyl-5-(1,5,5-trimethyl-2-azepanyl)-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(3-methylphenyl)-3-[2-oxo-1-propyl-5-(1,5,5-trimethylazepan-2-yl)-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-[2-keto-1-propyl-5-(1,5,5-trimethylazepan-2-yl)-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C29H39N5O2 MolecularWeight: 489.65226

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)C4CCC(CCN4C)(C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)C4CCC(CCN4C)(C)C

InChI

InChI=1S/C29H39N5O2/c1-6-17-34-23-13-8-7-12-22(23)25(24-14-15-29(3,4)16-18-33(24)5)31-26(27(34)35)32-28(36)30-21-11-9-10-20(2)19-21/h7-13,19,24,26H,6,14-18H2,1-5H3,(H2,30,32,36)