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

Systemtic Name: 1-[3-(aminomethyl)phenyl]-3-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Openeye Name: 1-[3-(aminomethyl)phenyl]-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea CAS Name: 1-[3-(aminomethyl)phenyl]-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea IUPAC Name: 1-[3-(aminomethyl)phenyl]-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Traditional Name: 1-[3-(aminomethyl)phenyl]-3-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Formula: C24H23N5O2 MolecularWeight: 413.47172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O2/c1-29-20-13-6-5-12-19(20)21(17-9-3-2-4-10-17)27-22(23(29)30)28-24(31)26-18-11-7-8-16(14-18)15-25/h2-14,22H,15,25H2,1H3,(H2,26,28,31)