(4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-phenoxy-phenyl]methanone

Systemtic Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-phenoxy-phenyl]methanone Openeye Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-phenoxy-phenyl]methanone CAS Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone IUPAC Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone Traditional Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-phenoxy-phenyl]methanone Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)C(=O)N2CCCN(CC2)C3CC3)OC4=CC=CC=C4

Isomeric SMILES

CNCC1=C(C=CC(=C1)C(=O)N2CCCN(CC2)C3CC3)OC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O2/c1-24-17-19-16-18(8-11-22(19)28-21-6-3-2-4-7-21)23(27)26-13-5-12-25(14-15-26)20-9-10-20/h2-4,6-8,11,16,20,24H,5,9-10,12-15,17H2,1H3