3-[2-(aminomethyl)-4-(3-chloranylphenoxy)-3-ethyl-phenyl]-4-propan-2-yl-1,4-diazepane-1-carbaldehyde

Systemtic Name: 3-[2-(aminomethyl)-4-(3-chloranylphenoxy)-3-ethyl-phenyl]-4-propan-2-yl-1,4-diazepane-1-carbaldehyde Openeye Name: 3-[2-(aminomethyl)-4-(3-chlorophenoxy)-3-ethyl-phenyl]-4-isopropyl-1,4-diazepane-1-carbaldehyde CAS Name: 3-[2-(aminomethyl)-4-(3-chlorophenoxy)-3-ethylphenyl]-4-propan-2-yl-1,4-diazepane-1-carboxaldehyde IUPAC Name: 3-[2-(aminomethyl)-4-(3-chlorophenoxy)-3-ethylphenyl]-4-propan-2-yl-1,4-diazepane-1-carbaldehyde Traditional Name: 3-[2-(aminomethyl)-4-(3-chlorophenoxy)-3-ethyl-phenyl]-4-isopropyl-1,4-diazepane-1-carbaldehyde Formula: C24H32ClN3O2 MolecularWeight: 429.98278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1CN)C2CN(CCCN2C(C)C)C=O)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1CN)C2CN(CCCN2C(C)C)C=O)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H32ClN3O2/c1-4-20-22(14-26)21(9-10-24(20)30-19-8-5-7-18(25)13-19)23-15-27(16-29)11-6-12-28(23)17(2)3/h5,7-10,13,16-17,23H,4,6,11-12,14-15,26H2,1-3H3