N-methyl-6-[[(3S)-2-oxidanylideneazepan-3-yl]amino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: N-methyl-6-[[(3S)-2-oxidanylideneazepan-3-yl]amino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide Openeye Name: N-methyl-6-[[(3S)-2-oxoazepan-3-yl]amino]-N-(2-quinolylmethyl)pyridine-3-carboxamide CAS Name: N-methyl-6-[[(3S)-2-oxo-3-azepanyl]amino]-N-(2-quinolinylmethyl)-3-pyridinecarboxamide IUPAC Name: N-methyl-6-[[(3S)-2-oxoazepan-3-yl]amino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide Traditional Name: 6-[[(3S)-2-ketoazepan-3-yl]amino]-N-methyl-N-(2-quinolylmethyl)nicotinamide Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2C=C1)C(=O)C3=CN=C(C=C3)NC4CCCCNC4=O

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2C=C1)C(=O)C3=CN=C(C=C3)N[C@H]4CCCCNC4=O

InChI

InChI=1S/C23H25N5O2/c1-28(15-18-11-9-16-6-2-3-7-19(16)26-18)23(30)17-10-12-21(25-14-17)27-20-8-4-5-13-24-22(20)29/h2-3,6-7,9-12,14,20H,4-5,8,13,15H2,1H3,(H,24,29)(H,25,27)/t20-/m0/s1