N-[(3-azanyl-4-chloranyl-phenyl)methyl]-5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-amine

Systemtic Name: N-[(3-azanyl-4-chloranyl-phenyl)methyl]-5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-amine Openeye Name: N-[(3-amino-4-chloro-phenyl)methyl]-5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-amine CAS Name: N-[(3-amino-4-chlorophenyl)methyl]-5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-amine IUPAC Name: N-[(3-amino-4-chlorophenyl)methyl]-5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-amine Traditional Name: (3-amino-4-chloro-benzyl)-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)amine Formula: C22H21ClN4 MolecularWeight: 376.88194

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2NC(=N1)NCC3=CC(=C(C=C3)Cl)N)C4=CC=CC=C4

Isomeric SMILES

C1C(C2=CC=CC=C2NC(=N1)NCC3=CC(=C(C=C3)Cl)N)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4/c23-19-11-10-15(12-20(19)24)13-25-22-26-14-18(16-6-2-1-3-7-16)17-8-4-5-9-21(17)27-22/h1-12,18H,13-14,24H2,(H2,25,26,27)