N-[(1S)-1-(benzotriazol-1-yl)-3-phenyl-propyl]pyridine-4-carboxamide

Systemtic Name: N-[(1S)-1-(benzotriazol-1-yl)-3-phenyl-propyl]pyridine-4-carboxamide Openeye Name: N-[(1S)-1-(benzotriazol-1-yl)-3-phenyl-propyl]pyridine-4-carboxamide CAS Name: N-[(1S)-1-(1-benzotriazolyl)-3-phenylpropyl]-4-pyridinecarboxamide IUPAC Name: N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide Traditional Name: N-[(1S)-1-(benzotriazol-1-yl)-3-phenyl-propyl]isonicotinamide Formula: C21H19N5O MolecularWeight: 357.40846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(NC(=O)C2=CC=NC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H](NC(=O)C2=CC=NC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H19N5O/c27-21(17-12-14-22-15-13-17)23-20(11-10-16-6-2-1-3-7-16)26-19-9-5-4-8-18(19)24-25-26/h1-9,12-15,20H,10-11H2,(H,23,27)/t20-/m0/s1