1-(5-phenyl-3,4-dihydropyrazol-2-yl)-4-[4-(phenylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione

Systemtic Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-4-[4-(phenylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione CAS Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-4-[4-(phenylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-4-(3-phenyl-2-pyrazolin-1-yl)butane-1,4-dione Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c30-24(28-16-7-15-27(18-19-28)20-21-8-3-1-4-9-21)12-13-25(31)29-17-14-23(26-29)22-10-5-2-6-11-22/h1-6,8-11H,7,12-20H2