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

Systemtic Name: 1-[5-(3-methylbutyl)-2,4-bis(oxidanylidene)-1H-1,5-benzodiazepin-3-yl]-3-phenyl-urea Openeye Name: 1-(5-isopentyl-2,4-dioxo-1H-1,5-benzodiazepin-3-yl)-3-phenyl-urea CAS Name: 1-[5-(3-methylbutyl)-2,4-dioxo-1H-1,5-benzodiazepin-3-yl]-3-phenylurea IUPAC Name: 1-[5-(3-methylbutyl)-2,4-dioxo-1H-1,5-benzodiazepin-3-yl]-3-phenylurea Traditional Name: 1-(5-isoamyl-2,4-diketo-1H-1,5-benzodiazepin-3-yl)-3-phenyl-urea Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2NC(=O)C(C1=O)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2NC(=O)C(C1=O)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3/c1-14(2)12-13-25-17-11-7-6-10-16(17)23-19(26)18(20(25)27)24-21(28)22-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,23,26)(H2,22,24,28)