4-[1,4-diazepan-1-yl-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[1,4-diazepan-1-yl-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-N,N-dimethyl-aniline Openeye Name: 4-[(4-benzyloxy-3-ethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-N,N-dimethyl-aniline CAS Name: 4-[1,4-diazepan-1-yl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-N,N-dimethylaniline IUPAC Name: 4-[1,4-diazepan-1-yl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-N,N-dimethylaniline Traditional Name: [4-[(4-benzoxy-3-ethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]phenyl]-dimethyl-amine Formula: C29H37N3O2 MolecularWeight: 459.62298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=C(C=C2)N(C)C)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=C(C=C2)N(C)C)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H37N3O2/c1-4-33-28-21-25(13-16-27(28)34-22-23-9-6-5-7-10-23)29(32-19-8-17-30-18-20-32)24-11-14-26(15-12-24)31(2)3/h5-7,9-16,21,29-30H,4,8,17-20,22H2,1-3H3