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

Systemtic Name: 1-[5-(azepan-1-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-phenyl-urea Openeye Name: 1-[5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-phenyl-urea CAS Name: 1-[5-(1-azepanyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-phenylurea IUPAC Name: 1-[5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-phenylurea Traditional Name: 1-[5-(azepan-1-yl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-3-phenyl-urea Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C23H27N5O2/c1-27-19-14-8-7-13-18(19)21(28-15-9-2-3-10-16-28)25-20(22(27)29)26-23(30)24-17-11-5-4-6-12-17/h4-8,11-14,20H,2-3,9-10,15-16H2,1H3,(H2,24,26,30)