3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-1-piperazin-1-yl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-one

Systemtic Name: 3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-1-piperazin-1-yl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-one Openeye Name: 3-(1-isopropylpyrazol-3-yl)-3-[4-(7-methoxy-8-quinolyl)-1,4-diazepan-1-yl]-1-piperazin-1-yl-propan-1-one CAS Name: 3-[4-(7-methoxy-8-quinolinyl)-1,4-diazepan-1-yl]-1-(1-piperazinyl)-3-(1-propan-2-yl-3-pyrazolyl)-1-propanone IUPAC Name: 3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-1-piperazin-1-yl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-one Traditional Name: 3-(1-isopropylpyrazol-3-yl)-3-[4-(7-methoxy-8-quinolyl)-1,4-diazepan-1-yl]-1-piperazino-propan-1-one Formula: C28H39N7O2 MolecularWeight: 505.65496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC(=N1)C(CC(=O)N2CCNCC2)N3CCCN(CC3)C4=C(C=CC5=C4N=CC=C5)OC

Isomeric SMILES

CC(C)N1C=CC(=N1)C(CC(=O)N2CCNCC2)N3CCCN(CC3)C4=C(C=CC5=C4N=CC=C5)OC

InChI

InChI=1S/C28H39N7O2/c1-21(2)35-15-9-23(31-35)24(20-26(36)33-16-11-29-12-17-33)32-13-5-14-34(19-18-32)28-25(37-3)8-7-22-6-4-10-30-27(22)28/h4,6-10,15,21,24,29H,5,11-14,16-20H2,1-3H3