8-[4-[1-(1-phenylpyrazol-3-yl)propyl]-1,4-diazepan-1-yl]-6-propan-2-yl-quinoline

Systemtic Name: 8-[4-[1-(1-phenylpyrazol-3-yl)propyl]-1,4-diazepan-1-yl]-6-propan-2-yl-quinoline Openeye Name: 6-isopropyl-8-[4-[1-(1-phenylpyrazol-3-yl)propyl]-1,4-diazepan-1-yl]quinoline CAS Name: 8-[4-[1-(1-phenyl-3-pyrazolyl)propyl]-1,4-diazepan-1-yl]-6-propan-2-ylquinoline IUPAC Name: 8-[4-[1-(1-phenylpyrazol-3-yl)propyl]-1,4-diazepan-1-yl]-6-propan-2-ylquinoline Traditional Name: 6-isopropyl-8-[4-[1-(1-phenylpyrazol-3-yl)propyl]-1,4-diazepan-1-yl]quinoline Formula: C29H35N5 MolecularWeight: 453.6217

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN(C=C1)C2=CC=CC=C2)N3CCCN(CC3)C4=C5C(=CC(=C4)C(C)C)C=CC=N5

Isomeric SMILES

CCC(C1=NN(C=C1)C2=CC=CC=C2)N3CCCN(CC3)C4=C5C(=CC(=C4)C(C)C)C=CC=N5

InChI

InChI=1S/C29H35N5/c1-4-27(26-13-17-34(31-26)25-11-6-5-7-12-25)32-15-9-16-33(19-18-32)28-21-24(22(2)3)20-23-10-8-14-30-29(23)28/h5-8,10-14,17,20-22,27H,4,9,15-16,18-19H2,1-3H3