(1-phenyl-5-propyl-pyrazol-4-yl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (1-phenyl-5-propyl-pyrazol-4-yl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (1-phenyl-5-propyl-pyrazol-4-yl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone CAS Name: (1-phenyl-5-propyl-4-pyrazolyl)-[4-(3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (1-phenyl-5-propylpyrazol-4-yl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (1-phenyl-5-propyl-pyrazol-4-yl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone Formula: C32H32N6O MolecularWeight: 516.63608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)C4=NC5=CC=CC=C5N=C4C6=CC=CC=C6

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)C4=NC5=CC=CC=C5N=C4C6=CC=CC=C6

InChI

InChI=1S/C32H32N6O/c1-2-12-29-26(23-33-38(29)25-15-7-4-8-16-25)32(39)37-20-11-19-36(21-22-37)31-30(24-13-5-3-6-14-24)34-27-17-9-10-18-28(27)35-31/h3-10,13-18,23H,2,11-12,19-22H2,1H3