[4-(azepan-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(azepan-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(azepan-1-ylmethyl)phenyl]-(4-isopropylpiperazin-1-yl)methanone CAS Name: [4-(1-azepanylmethyl)phenyl]-(4-propan-2-yl-1-piperazinyl)methanone IUPAC Name: [4-(azepan-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(azepan-1-ylmethyl)phenyl]-(4-isopropylpiperazino)methanone Formula: C21H33N3O MolecularWeight: 343.50622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O/c1-18(2)23-13-15-24(16-14-23)21(25)20-9-7-19(8-10-20)17-22-11-5-3-4-6-12-22/h7-10,18H,3-6,11-17H2,1-2H3