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

Systemtic Name: N-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide CAS Name: N-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H26N4OS/c1-18-5-7-19(8-6-18)17-26-11-3-12-27(14-13-26)22-10-9-20(16-24-22)25-23(28)21-4-2-15-29-21/h2,4-10,15-16H,3,11-14,17H2,1H3,(H,25,28)