(5-cyclopropyl-1-phenyl-pyrazol-4-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-cyclopropyl-1-phenyl-pyrazol-4-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(5-cyclopropyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: (5-cyclopropyl-1-phenyl-4-pyrazolyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(5-cyclopropyl-1-phenylpyrazol-4-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(5-cyclopropyl-1-phenyl-pyrazol-4-yl)methanone Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)C4CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)C4CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H28N4O/c30-25(28-15-7-14-27(16-17-28)19-20-8-3-1-4-9-20)23-18-26-29(24(23)21-12-13-21)22-10-5-2-6-11-22/h1-6,8-11,18,21H,7,12-17,19H2