7-chloranyl-N-ethyl-5-phenyl-3-piperidin-1-yl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 7-chloranyl-N-ethyl-5-phenyl-3-piperidin-1-yl-3H-1,4-benzodiazepin-2-amine Openeye Name: 7-chloro-N-ethyl-5-phenyl-3-(1-piperidyl)-3H-1,4-benzodiazepin-2-amine CAS Name: 7-chloro-N-ethyl-5-phenyl-3-(1-piperidinyl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: 7-chloro-N-ethyl-5-phenyl-3-piperidin-1-yl-3H-1,4-benzodiazepin-2-amine Traditional Name: (7-chloro-5-phenyl-3-piperidino-3H-1,4-benzodiazepin-2-yl)-ethyl-amine Formula: C22H25ClN4 MolecularWeight: 380.9137

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(C=C(C=C2)Cl)C(=NC1N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCNC1=NC2=C(C=C(C=C2)Cl)C(=NC1N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25ClN4/c1-2-24-21-22(27-13-7-4-8-14-27)26-20(16-9-5-3-6-10-16)18-15-17(23)11-12-19(18)25-21/h3,5-6,9-12,15,22H,2,4,7-8,13-14H2,1H3,(H,24,25)