1-[1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-cyclohexyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-cyclohexyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-[2-(azocan-1-yl)-2-oxo-ethyl]-5-cyclohexyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-[2-(1-azocanyl)-2-oxoethyl]-5-cyclohexyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-[2-(azocan-1-yl)-2-oxoethyl]-5-cyclohexyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-[2-(azocan-1-yl)-2-keto-ethyl]-5-cyclohexyl-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C33H43N5O3 MolecularWeight: 557.72622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C4CCCCC4)CC(=O)N5CCCCCCC5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C4CCCCC4)CC(=O)N5CCCCCCC5

InChI

InChI=1S/C33H43N5O3/c1-23-13-11-17-26(21-23)34-33(41)36-31-32(40)38(22-28(39)37-19-9-4-3-5-10-20-37)30-24(2)14-12-18-27(30)29(35-31)25-15-7-6-8-16-25/h11-14,17-18,21,25,31H,3-10,15-16,19-20,22H2,1-2H3,(H2,34,36,41)