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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCNCC4

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCNCC4

InChI

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