1-[4-(2-dimethylaminoethyloxy)phenyl]-3-(4-phenoxyphenyl)-1,3-diazepan-2-one

Systemtic Name: 1-[4-(2-dimethylaminoethyloxy)phenyl]-3-(4-phenoxyphenyl)-1,3-diazepan-2-one Openeye Name: 1-[4-(2-dimethylaminoethyloxy)phenyl]-3-(4-phenoxyphenyl)-1,3-diazepan-2-one CAS Name: 1-[4-(2-dimethylaminoethyloxy)phenyl]-3-(4-phenoxyphenyl)-1,3-diazepan-2-one IUPAC Name: 1-[4-(2-dimethylaminoethyloxy)phenyl]-3-(4-phenoxyphenyl)-1,3-diazepan-2-one Traditional Name: 1-[4-(2-dimethylaminoethyloxy)phenyl]-3-(4-phenoxyphenyl)-1,3-diazepan-2-one Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)N2CCCCN(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)N2CCCCN(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3/c1-28(2)20-21-32-24-14-10-22(11-15-24)29-18-6-7-19-30(27(29)31)23-12-16-26(17-13-23)33-25-8-4-3-5-9-25/h3-5,8-17H,6-7,18-21H2,1-2H3