3-[1,4-diazepan-1-yl-(5-ethylthiophen-2-yl)methyl]quinoline

Systemtic Name: 3-[1,4-diazepan-1-yl-(5-ethylthiophen-2-yl)methyl]quinoline Openeye Name: 3-[1,4-diazepan-1-yl-(5-ethyl-2-thienyl)methyl]quinoline CAS Name: 3-[1,4-diazepan-1-yl-(5-ethyl-2-thiophenyl)methyl]quinoline IUPAC Name: 3-[1,4-diazepan-1-yl-(5-ethylthiophen-2-yl)methyl]quinoline Traditional Name: 3-[1,4-diazepan-1-yl-(5-ethyl-2-thienyl)methyl]quinoline Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC3=CC=CC=C3N=C2)N4CCCNCC4

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC3=CC=CC=C3N=C2)N4CCCNCC4

InChI

InChI=1S/C21H25N3S/c1-2-18-8-9-20(25-18)21(24-12-5-10-22-11-13-24)17-14-16-6-3-4-7-19(16)23-15-17/h3-4,6-9,14-15,21-22H,2,5,10-13H2,1H3