6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline

Systemtic Name: 6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline Openeye Name: 6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline CAS Name: 6-methyl-8-[4-[(1-phenyl-3-pyrazolyl)methyl]-1,4-diazepan-1-yl]quinoline IUPAC Name: 6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline Traditional Name: 6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline Formula: C25H27N5 MolecularWeight: 397.51538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=CC=N2)N3CCCN(CC3)CC4=NN(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C2C(=C1)C=CC=N2)N3CCCN(CC3)CC4=NN(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5/c1-20-17-21-7-5-11-26-25(21)24(18-20)29-13-6-12-28(15-16-29)19-22-10-14-30(27-22)23-8-3-2-4-9-23/h2-5,7-11,14,17-18H,6,12-13,15-16,19H2,1H3