1-[3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one

Systemtic Name: 1-[3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-[3-(4-isopropylanilino)-1-piperidyl]-4-(1,2,4-triazol-1-yl)butan-1-one CAS Name: 1-[3-(4-propan-2-ylanilino)-1-piperidinyl]-4-(1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-(3-cumidinopiperidino)-4-(1,2,4-triazol-1-yl)butan-1-one Formula: C20H29N5O MolecularWeight: 355.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)CCCN3C=NC=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)CCCN3C=NC=N3

InChI

InChI=1S/C20H29N5O/c1-16(2)17-7-9-18(10-8-17)23-19-5-3-11-24(13-19)20(26)6-4-12-25-15-21-14-22-25/h7-10,14-16,19,23H,3-6,11-13H2,1-2H3