N-[2-(azepan-1-yl)ethyl]-3-[2,3-bis(oxidanylidene)-4-prop-2-enyl-quinoxalin-1-yl]propanamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-3-[2,3-bis(oxidanylidene)-4-prop-2-enyl-quinoxalin-1-yl]propanamide Openeye Name: 3-(4-allyl-2,3-dioxo-quinoxalin-1-yl)-N-[2-(azepan-1-yl)ethyl]propanamide CAS Name: N-[2-(1-azepanyl)ethyl]-3-(2,3-dioxo-4-prop-2-enyl-1-quinoxalinyl)propanamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)propanamide Traditional Name: 3-(4-allyl-2,3-diketo-quinoxalin-1-yl)-N-[2-(azepan-1-yl)ethyl]propionamide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2N(C(=O)C1=O)CCC(=O)NCCN3CCCCCC3

Isomeric SMILES

C=CCN1C2=CC=CC=C2N(C(=O)C1=O)CCC(=O)NCCN3CCCCCC3

InChI

InChI=1S/C22H30N4O3/c1-2-13-25-18-9-5-6-10-19(18)26(22(29)21(25)28)16-11-20(27)23-12-17-24-14-7-3-4-8-15-24/h2,5-6,9-10H,1,3-4,7-8,11-17H2,(H,23,27)