N-[3-oxidanylidene-3-[(2-oxidanylideneazepan-3-yl)amino]propyl]-N-(phenylmethyl)pyrazine-2-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-[(2-oxidanylideneazepan-3-yl)amino]propyl]-N-(phenylmethyl)pyrazine-2-carboxamide Openeye Name: N-benzyl-N-[3-oxo-3-[(2-oxoazepan-3-yl)amino]propyl]pyrazine-2-carboxamide CAS Name: N-[3-oxo-3-[(2-oxo-3-azepanyl)amino]propyl]-N-(phenylmethyl)-2-pyrazinecarboxamide IUPAC Name: N-benzyl-N-[3-oxo-3-[(2-oxoazepan-3-yl)amino]propyl]pyrazine-2-carboxamide Traditional Name: N-benzyl-N-[3-keto-3-[(2-ketoazepan-3-yl)amino]propyl]pyrazinamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CCN(CC2=CC=CC=C2)C(=O)C3=NC=CN=C3

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)CCN(CC2=CC=CC=C2)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C21H25N5O3/c27-19(25-17-8-4-5-10-24-20(17)28)9-13-26(15-16-6-2-1-3-7-16)21(29)18-14-22-11-12-23-18/h1-3,6-7,11-12,14,17H,4-5,8-10,13,15H2,(H,24,28)(H,25,27)