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

Systemtic Name: 7-chloranyl-N-prop-2-enyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine Openeye Name: N-allyl-7-chloro-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine CAS Name: 7-chloro-N-prop-2-enyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: 7-chloro-N-prop-2-enyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine Traditional Name: allyl-[7-chloro-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-yl]amine Formula: C16H15ClN4 MolecularWeight: 298.7701

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/C16H15ClN4/c1-2-7-19-15-10-20-16(14-4-3-8-18-14)12-9-11(17)5-6-13(12)21-15/h2-6,8-9,18H,1,7,10H2,(H,19,21)