[4-(azepan-1-ylmethyl)phenyl]-(4-pentan-3-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(azepan-1-ylmethyl)phenyl]-(4-pentan-3-ylpiperazin-1-yl)methanone Openeye Name: [4-(azepan-1-ylmethyl)phenyl]-[4-(1-ethylpropyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylmethyl)phenyl]-(4-pentan-3-yl-1-piperazinyl)methanone IUPAC Name: [4-(azepan-1-ylmethyl)phenyl]-(4-pentan-3-ylpiperazin-1-yl)methanone Traditional Name: [4-(azepan-1-ylmethyl)phenyl]-[4-(1-ethylpropyl)piperazino]methanone Formula: C23H37N3O MolecularWeight: 371.55938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3CCCCCC3

Isomeric SMILES

CCC(CC)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3CCCCCC3

InChI

InChI=1S/C23H37N3O/c1-3-22(4-2)25-15-17-26(18-16-25)23(27)21-11-9-20(10-12-21)19-24-13-7-5-6-8-14-24/h9-12,22H,3-8,13-19H2,1-2H3