N-(2-chlorophenyl)-2-[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide Formula: C18H23ClN4O MolecularWeight: 346.85442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NC2=CC=CC=C2Cl)CC3=CC=CN3

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NC2=CC=CC=C2Cl)CC3=CC=CN3

InChI

InChI=1S/C18H23ClN4O/c19-16-6-1-2-7-17(16)21-18(24)14-23-10-4-9-22(11-12-23)13-15-5-3-8-20-15/h1-3,5-8,20H,4,9-14H2,(H,21,24)