6-[1,4-diazepan-1-yl-(5-methylthiophen-2-yl)methyl]isoquinoline

Systemtic Name: 6-[1,4-diazepan-1-yl-(5-methylthiophen-2-yl)methyl]isoquinoline Openeye Name: 6-[1,4-diazepan-1-yl-(5-methyl-2-thienyl)methyl]isoquinoline CAS Name: 6-[1,4-diazepan-1-yl-(5-methyl-2-thiophenyl)methyl]isoquinoline IUPAC Name: 6-[1,4-diazepan-1-yl-(5-methylthiophen-2-yl)methyl]isoquinoline Traditional Name: 6-[1,4-diazepan-1-yl-(5-methyl-2-thienyl)methyl]isoquinoline Formula: C20H23N3S MolecularWeight: 337.48172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCNCC4

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCNCC4

InChI

InChI=1S/C20H23N3S/c1-15-3-6-19(24-15)20(23-11-2-8-21-10-12-23)17-4-5-18-14-22-9-7-16(18)13-17/h3-7,9,13-14,20-21H,2,8,10-12H2,1H3