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

Systemtic Name: N-[6-[4-[(4-propan-2-ylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[4-[(4-isopropylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide CAS Name: N-[6-[4-[(4-propan-2-ylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[4-[(4-propan-2-ylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[4-(4-isopropylbenzyl)-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4OS/c1-19(2)21-8-6-20(7-9-21)18-28-12-4-13-29(15-14-28)24-11-10-22(17-26-24)27-25(30)23-5-3-16-31-23/h3,5-11,16-17,19H,4,12-15,18H2,1-2H3,(H,27,30)