2-(benzotriazol-2-yl)-1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-2-yl)-1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]ethanone Openeye Name: 2-(benzotriazol-2-yl)-1-[(3S)-3-(3,4-dimethylanilino)-1-piperidyl]ethanone CAS Name: 2-(2-benzotriazolyl)-1-[(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]ethanone IUPAC Name: 2-(benzotriazol-2-yl)-1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]ethanone Traditional Name: 2-(benzotriazol-2-yl)-1-[(3S)-3-(3,4-dimethylanilino)piperidino]ethanone Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CN3N=C4C=CC=CC4=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)CN3N=C4C=CC=CC4=N3)C

InChI

InChI=1S/C21H25N5O/c1-15-9-10-17(12-16(15)2)22-18-6-5-11-25(13-18)21(27)14-26-23-19-7-3-4-8-20(19)24-26/h3-4,7-10,12,18,22H,5-6,11,13-14H2,1-2H3/t18-/m0/s1