[4-(phenylmethyl)-1,4-diazepan-1-yl]-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methanone

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methanone CAS Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methanone Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N4OS/c31-26(29-15-8-14-28(16-17-29)19-21-9-3-1-4-10-21)23-20-30(22-11-5-2-6-12-22)27-25(23)24-13-7-18-32-24/h1-7,9-13,18,20H,8,14-17,19H2