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

Systemtic Name: N-[6-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide CAS Name: N-[6-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[4-(3-nitrobenzyl)-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=CS3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=CS3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3S/c28-22(20-6-2-13-31-20)24-18-7-8-21(23-15-18)26-10-3-9-25(11-12-26)16-17-4-1-5-19(14-17)27(29)30/h1-2,4-8,13-15H,3,9-12,16H2,(H,24,28)