6-[1,4-diazepan-1-yl(thiophen-2-yl)methyl]isoquinoline

Systemtic Name: 6-[1,4-diazepan-1-yl(thiophen-2-yl)methyl]isoquinoline Openeye Name: 6-[1,4-diazepan-1-yl(2-thienyl)methyl]isoquinoline CAS Name: 6-[1,4-diazepan-1-yl(thiophen-2-yl)methyl]isoquinoline IUPAC Name: 6-[1,4-diazepan-1-yl(thiophen-2-yl)methyl]isoquinoline Traditional Name: 6-[1,4-diazepan-1-yl(2-thienyl)methyl]isoquinoline Formula: C19H21N3S MolecularWeight: 323.45514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CS4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CS4

InChI

InChI=1S/C19H21N3S/c1-3-18(23-12-1)19(22-10-2-7-20-9-11-22)16-4-5-17-14-21-8-6-15(17)13-16/h1,3-6,8,12-14,19-20H,2,7,9-11H2