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

Systemtic Name: 7-chloranyl-N-ethyl-5-phenyl-3-pyrrolidin-1-yl-3H-1,4-benzodiazepin-2-amine Openeye Name: 7-chloro-N-ethyl-5-phenyl-3-pyrrolidin-1-yl-3H-1,4-benzodiazepin-2-amine CAS Name: 7-chloro-N-ethyl-5-phenyl-3-(1-pyrrolidinyl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: 7-chloro-N-ethyl-5-phenyl-3-pyrrolidin-1-yl-3H-1,4-benzodiazepin-2-amine Traditional Name: (7-chloro-5-phenyl-3-pyrrolidino-3H-1,4-benzodiazepin-2-yl)-ethyl-amine Formula: C21H23ClN4 MolecularWeight: 366.88712

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(C=C(C=C2)Cl)C(=NC1N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCNC1=NC2=C(C=C(C=C2)Cl)C(=NC1N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23ClN4/c1-2-23-20-21(26-12-6-7-13-26)25-19(15-8-4-3-5-9-15)17-14-16(22)10-11-18(17)24-20/h3-5,8-11,14,21H,2,6-7,12-13H2,1H3,(H,23,24)