1-(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-pentan-3-yl-urea

Systemtic Name: 1-(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-pentan-3-yl-urea Openeye Name: 1-(1-ethylpropyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea CAS Name: 1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-pentan-3-ylurea IUPAC Name: 1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3-pentan-3-ylurea Traditional Name: 1-(1-ethylpropyl)-3-(2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3

Isomeric SMILES

CCC(CC)NC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2/c1-3-15(4-2)22-21(27)25-19-20(26)23-17-13-9-8-12-16(17)18(24-19)14-10-6-5-7-11-14/h5-13,15,19H,3-4H2,1-2H3,(H,23,26)(H2,22,25,27)