N-[6-[4-[(3,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-[4-[(3,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[4-[(3,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide CAS Name: N-[6-[4-[(3,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[4-[(3,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[4-(3,5-dimethoxybenzyl)-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC=CS4)OC

InChI

InChI=1S/C24H28N4O3S/c1-30-20-13-18(14-21(15-20)31-2)17-27-8-4-9-28(11-10-27)23-7-6-19(16-25-23)26-24(29)22-5-3-12-32-22/h3,5-7,12-16H,4,8-11,17H2,1-2H3,(H,26,29)