7-chloranyl-N2-ethyl-N3-methyl-5-phenyl-N3-(phenylmethyl)-3H-1,4-benzodiazepine-2,3-diamine

Systemtic Name: 7-chloranyl-N2-ethyl-N3-methyl-5-phenyl-N3-(phenylmethyl)-3H-1,4-benzodiazepine-2,3-diamine Openeye Name: N3-benzyl-7-chloro-N2-ethyl-N3-methyl-5-phenyl-3H-1,4-benzodiazepine-2,3-diamine CAS Name: 7-chloro-N2-ethyl-N3-methyl-5-phenyl-N3-(phenylmethyl)-3H-1,4-benzodiazepine-2,3-diamine IUPAC Name: 3-N-benzyl-7-chloro-2-N-ethyl-3-N-methyl-5-phenyl-3H-1,4-benzodiazepine-2,3-diamine Traditional Name: benzyl-[7-chloro-2-(ethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-methyl-amine Formula: C25H25ClN4 MolecularWeight: 416.9458

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(C=C(C=C2)Cl)C(=NC1N(C)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCNC1=NC2=C(C=C(C=C2)Cl)C(=NC1N(C)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25ClN4/c1-3-27-24-25(30(2)17-18-10-6-4-7-11-18)29-23(19-12-8-5-9-13-19)21-16-20(26)14-15-22(21)28-24/h4-16,25H,3,17H2,1-2H3,(H,27,28)