1-[1-(3-ethyl-2-oxidanylidene-pentyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-(3-ethyl-2-oxidanylidene-pentyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-(3-ethyl-2-oxo-pentyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-(3-ethyl-2-oxopentyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-(3-ethyl-2-oxopentyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-(3-ethyl-2-keto-pentyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C30H32N4O3 MolecularWeight: 496.60008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCC(CC)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C30H32N4O3/c1-4-21(5-2)26(35)19-34-25-17-10-9-16-24(25)27(22-13-7-6-8-14-22)32-28(29(34)36)33-30(37)31-23-15-11-12-20(3)18-23/h6-18,21,28H,4-5,19H2,1-3H3,(H2,31,33,37)