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

Systemtic Name: N-[6-[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide CAS Name: N-[6-[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[4-(2,5-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(=C(C=C1)OC)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

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

InChI

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