1-[1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-methanoyl-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-methanoyl-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-formyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-[2-(1-azocanyl)-2-oxoethyl]-5-formyl-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-formyl-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-formyl-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C28H33N5O4 MolecularWeight: 503.59272

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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)C=O)CC(=O)N4CCCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C=O)CC(=O)N4CCCCCCC4

InChI

InChI=1S/C28H33N5O4/c1-19-10-8-12-21(16-19)29-28(37)31-26-27(36)33(17-24(35)32-14-6-4-3-5-7-15-32)25-20(2)11-9-13-22(25)23(18-34)30-26/h8-13,16,18,26H,3-7,14-15,17H2,1-2H3,(H2,29,31,37)