N-[(4-butoxyphenyl)-phenyl-methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: N-[(4-butoxyphenyl)-phenyl-methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: N-[(4-butoxyphenyl)-phenyl-methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: N-[(4-butoxyphenyl)-phenylmethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: N-[(4-butoxyphenyl)-phenylmethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: [(4-butoxyphenyl)-phenyl-methyl]-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine Formula: C23H30N2O MolecularWeight: 350.4971

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=NCCCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=NCCCCC3

InChI

InChI=1S/C23H30N2O/c1-2-3-18-26-21-15-13-20(14-16-21)23(19-10-6-4-7-11-19)25-22-12-8-5-9-17-24-22/h4,6-7,10-11,13-16,23H,2-3,5,8-9,12,17-18H2,1H3,(H,24,25)