1-[5-cycloheptyl-1-(2-morpholin-4-ylethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[5-cycloheptyl-1-(2-morpholin-4-ylethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[5-cycloheptyl-1-(2-morpholinoethyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[5-cycloheptyl-1-[2-(4-morpholinyl)ethyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[5-cycloheptyl-1-(2-morpholin-4-ylethyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[5-cycloheptyl-2-keto-1-(2-morpholinoethyl)-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C30H39N5O3 MolecularWeight: 517.66236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCCCC4)CCN5CCOCC5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCCCC4)CCN5CCOCC5

InChI

InChI=1S/C30H39N5O3/c1-22-9-8-12-24(21-22)31-30(37)33-28-29(36)35(16-15-34-17-19-38-20-18-34)26-14-7-6-13-25(26)27(32-28)23-10-4-2-3-5-11-23/h6-9,12-14,21,23,28H,2-5,10-11,15-20H2,1H3,(H2,31,33,37)