N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-(benzotriazol-1-ylmethyl)benzamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-(benzotriazol-1-ylmethyl)benzamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-(benzotriazol-1-ylmethyl)benzamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-4-(1-benzotriazolylmethyl)benzamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-4-(benzotriazol-1-ylmethyl)benzamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-(benzotriazol-1-ylmethyl)benzamide Formula: C27H24N8O MolecularWeight: 476.53246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4)C#N)N

InChI

InChI=1S/C27H24N8O/c28-17-22-23(32-35(26(22)29)21-7-2-1-3-8-21)10-6-16-30-27(36)20-14-12-19(13-15-20)18-34-25-11-5-4-9-24(25)31-33-34/h1-5,7-9,11-15H,6,10,16,18,29H2,(H,30,36)