3-(aminocarbonylamino)-3-(2-methylphenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide

Systemtic Name: 3-(aminocarbonylamino)-3-(2-methylphenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide Openeye Name: 3-(o-tolyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-3-ureido-propanamide CAS Name: 3-(carbamoylamino)-3-(2-methylphenyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]propanamide IUPAC Name: 3-(carbamoylamino)-3-(2-methylphenyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]propanamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-3-(o-tolyl)-3-ureido-propionamide Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)NC(=O)N

Isomeric SMILES

CC1=CC=CC=C1C(CC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)NC(=O)N

InChI

InChI=1S/C20H24N6O3/c1-13-4-2-3-5-15(13)16(25-20(21)29)10-18(27)24-14-6-7-17(23-11-14)26-9-8-22-19(28)12-26/h2-7,11,16H,8-10,12H2,1H3,(H,22,28)(H,24,27)(H3,21,25,29)