N-[4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)phenyl]-2-phenoxy-benzamide

Systemtic Name: N-[4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)phenyl]-2-phenoxy-benzamide Openeye Name: N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]-2-phenoxy-benzamide CAS Name: N-[4-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]phenyl]-2-phenoxybenzamide IUPAC Name: N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]-2-phenoxybenzamide Traditional Name: N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]phenyl]-2-phenoxy-benzamide Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4OC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3/c32-27(25-9-4-5-10-26(25)34-24-7-2-1-3-8-24)29-22-13-15-23(16-14-22)30-17-6-18-31(20-19-30)28(33)21-11-12-21/h1-5,7-10,13-16,21H,6,11-12,17-20H2,(H,29,32)