1-[7-chloranyl-1-(3-methylbutyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea

Systemtic Name: 1-[7-chloranyl-1-(3-methylbutyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea Openeye Name: 1-(7-chloro-1-isopentyl-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl)-3-phenyl-urea CAS Name: 1-[7-chloro-1-(3-methylbutyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea IUPAC Name: 1-[7-chloro-1-(3-methylbutyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea Traditional Name: 1-(7-chloro-1-isoamyl-2,4-diketo-5-phenyl-1,5-benzodiazepin-3-yl)-3-phenyl-urea Formula: C27H27ClN4O3 MolecularWeight: 490.98128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)Cl)N(C(=O)C(C1=O)NC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)Cl)N(C(=O)C(C1=O)NC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27ClN4O3/c1-18(2)15-16-31-22-14-13-19(28)17-23(22)32(21-11-7-4-8-12-21)26(34)24(25(31)33)30-27(35)29-20-9-5-3-6-10-20/h3-14,17-18,24H,15-16H2,1-2H3,(H2,29,30,35)