[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-(6-pyrrol-1-ylpyridin-3-yl)methanone

Systemtic Name: [4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-(6-pyrrol-1-ylpyridin-3-yl)methanone Openeye Name: [4-(2-furylmethyl)-1,4-diazepan-1-yl]-(6-pyrrol-1-yl-3-pyridyl)methanone CAS Name: [4-(2-furanylmethyl)-1,4-diazepan-1-yl]-[6-(1-pyrrolyl)-3-pyridinyl]methanone IUPAC Name: [4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-(6-pyrrol-1-ylpyridin-3-yl)methanone Traditional Name: [4-(2-furfuryl)-1,4-diazepan-1-yl]-(6-pyrrol-1-yl-3-pyridyl)methanone Formula: C20H22N4O2 MolecularWeight: 350.41428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN=C(C=C2)N3C=CC=C3)CC4=CC=CO4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN=C(C=C2)N3C=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C20H22N4O2/c25-20(17-6-7-19(21-15-17)23-9-1-2-10-23)24-11-4-8-22(12-13-24)16-18-5-3-14-26-18/h1-3,5-7,9-10,14-15H,4,8,11-13,16H2