[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]-(1-phenyl-5-propyl-pyrazol-4-yl)methanone

Systemtic Name: [4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]-(1-phenyl-5-propyl-pyrazol-4-yl)methanone Openeye Name: [4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]-(1-phenyl-5-propyl-pyrazol-4-yl)methanone CAS Name: [4-(6,7-dimethyl-3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]-(1-phenyl-5-propyl-4-pyrazolyl)methanone IUPAC Name: [4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone Traditional Name: [4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]-(1-phenyl-5-propyl-pyrazol-4-yl)methanone Formula: C34H36N6O MolecularWeight: 544.68924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)C4=NC5=C(C=C(C(=C5)C)C)N=C4C6=CC=CC=C6

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)C4=NC5=C(C=C(C(=C5)C)C)N=C4C6=CC=CC=C6

InChI

InChI=1S/C34H36N6O/c1-4-12-31-28(23-35-40(31)27-15-9-6-10-16-27)34(41)39-18-11-17-38(19-20-39)33-32(26-13-7-5-8-14-26)36-29-21-24(2)25(3)22-30(29)37-33/h5-10,13-16,21-23H,4,11-12,17-20H2,1-3H3