4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]ethyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]ethyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]ethyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[2-[[4-(1-azepanyl)-2-pyrimidinyl]-(2-pyrrolidinyl)amino]ethyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-ylamino]ethyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]ethyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C27H37N7O MolecularWeight: 475.62898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CCN(C3CCCN3)C4=NC=CC(=N4)N5CCCCCC5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CCN(C3CCCN3)C4=NC=CC(=N4)N5CCCCCC5

InChI

InChI=1S/C27H37N7O/c1-21-23(26(35)34(31(21)2)22-11-6-5-7-12-22)15-20-33(24-13-10-16-28-24)27-29-17-14-25(30-27)32-18-8-3-4-9-19-32/h5-7,11-12,14,17,24,28H,3-4,8-10,13,15-16,18-20H2,1-2H3