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

Systemtic Name: N-[(3-azanyl-4-chloranyl-phenyl)methyl]-5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-amine; (E)-but-2-enedioic acid Openeye Name: N-[(3-amino-4-chloro-phenyl)methyl]-5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-amine; fumaric acid CAS Name: N-[(3-amino-4-chlorophenyl)methyl]-5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-amine; (E)-2-butenedioic acid IUPAC Name: N-[(3-amino-4-chlorophenyl)methyl]-5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-amine; (E)-but-2-enedioic acid Traditional Name: (3-amino-4-chloro-benzyl)-(5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)amine; fumaric acid Formula: C26H25ClN4O4 MolecularWeight: 492.9541

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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.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C(C2=CC=CC=C2NC(=N1)NCC3=CC(=C(C=C3)Cl)N)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H21ClN4.C4H4O4/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;5-3(6)1-2-4(7)8/h1-12,18H,13-14,24H2,(H2,25,26,27);1-2H,(H,5,6)(H,7,8)/b;2-1+