2-[3-[4-[(4-chlorophenyl)-phenyl-methyl]-1,4-diazepan-1-yl]propylamino]-4-methyl-phenol

Systemtic Name: 2-[3-[4-[(4-chlorophenyl)-phenyl-methyl]-1,4-diazepan-1-yl]propylamino]-4-methyl-phenol Openeye Name: 2-[3-[4-[(4-chlorophenyl)-phenyl-methyl]-1,4-diazepan-1-yl]propylamino]-4-methyl-phenol CAS Name: 2-[3-[4-[(4-chlorophenyl)-phenylmethyl]-1,4-diazepan-1-yl]propylamino]-4-methylphenol IUPAC Name: 2-[3-[4-[(4-chlorophenyl)-phenylmethyl]-1,4-diazepan-1-yl]propylamino]-4-methylphenol Traditional Name: 2-[3-[4-[(4-chlorophenyl)-phenyl-methyl]-1,4-diazepan-1-yl]propylamino]-4-methyl-phenol Formula: C28H34ClN3O MolecularWeight: 464.04206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NCCCN2CCCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)O)NCCCN2CCCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H34ClN3O/c1-22-9-14-27(33)26(21-22)30-15-5-16-31-17-6-18-32(20-19-31)28(23-7-3-2-4-8-23)24-10-12-25(29)13-11-24/h2-4,7-14,21,28,30,33H,5-6,15-20H2,1H3