7-chloranyl-N-(2,2-dimethoxyethyl)-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 7-chloranyl-N-(2,2-dimethoxyethyl)-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine Openeye Name: 7-chloro-N-(2,2-dimethoxyethyl)-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine CAS Name: 7-chloro-N-(2,2-dimethoxyethyl)-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: 7-chloro-N-(2,2-dimethoxyethyl)-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine Traditional Name: [7-chloro-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-yl]-(2,2-dimethoxyethyl)amine Formula: C17H19ClN4O2 MolecularWeight: 346.81136

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CN3)OC

Isomeric SMILES

COC(CNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CN3)OC

InChI

InChI=1S/C17H19ClN4O2/c1-23-16(24-2)10-20-15-9-21-17(14-4-3-7-19-14)12-8-11(18)5-6-13(12)22-15/h3-8,16,19H,9-10H2,1-2H3,(H,20,22)