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

Systemtic Name: 7-chloranyl-N-prop-2-ynyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine Openeye Name: 7-chloro-N-prop-2-ynyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine CAS Name: 7-chloro-N-prop-2-ynyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: 7-chloro-N-prop-2-ynyl-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]-propargyl-amine Formula: C16H13ClN4 MolecularWeight: 296.75422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CN3

Isomeric SMILES

C#CCNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CN3

InChI

InChI=1S/C16H13ClN4/c1-2-7-19-15-10-20-16(14-4-3-8-18-14)12-9-11(17)5-6-13(12)21-15/h1,3-6,8-9,18H,7,10H2,(H,19,21)