methyl 6-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-[(4-acetamidophenyl)methyl]-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[(4-acetamidophenyl)methyl]-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[4-(4-acetamidobenzyl)-1,4-diazepane-1-carbonyl]nicotinic acid methyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H26N4O4/c1-16(27)24-19-7-4-17(5-8-19)15-25-10-3-11-26(13-12-25)21(28)20-9-6-18(14-23-20)22(29)30-2/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)