[4-methoxy-3-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-methoxy-3-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-methoxy-3-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-methoxy-3-[4-[(1-phenyl-3-pyrazolyl)methyl]-1,4-diazepan-1-yl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-methoxy-3-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-methoxy-3-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]phenyl]-pyrrolidino-methanone Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCC2)N3CCCN(CC3)CC4=NN(C=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCC2)N3CCCN(CC3)CC4=NN(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H33N5O2/c1-34-26-11-10-22(27(33)31-14-5-6-15-31)20-25(26)30-16-7-13-29(18-19-30)21-23-12-17-32(28-23)24-8-3-2-4-9-24/h2-4,8-12,17,20H,5-7,13-16,18-19,21H2,1H3