N-[3-(aziridin-1-yl)propyl]-4-[(E)-2-(4-methoxyphenyl)-1-phenyl-but-1-enyl]aniline

Systemtic Name: N-[3-(aziridin-1-yl)propyl]-4-[(E)-2-(4-methoxyphenyl)-1-phenyl-but-1-enyl]aniline Openeye Name: N-[3-(aziridin-1-yl)propyl]-4-[(E)-2-(4-methoxyphenyl)-1-phenyl-but-1-enyl]aniline CAS Name: N-[3-(1-aziridinyl)propyl]-4-[(E)-2-(4-methoxyphenyl)-1-phenylbut-1-enyl]aniline IUPAC Name: N-[3-(aziridin-1-yl)propyl]-4-[(E)-2-(4-methoxyphenyl)-1-phenylbut-1-enyl]aniline Traditional Name: 3-ethyleniminopropyl-[4-[(E)-2-(4-methoxyphenyl)-1-phenyl-but-1-enyl]phenyl]amine Formula: C28H32N2O MolecularWeight: 412.56648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)NCCCN3CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC/C(=C(/C1=CC=CC=C1)\C2=CC=C(C=C2)NCCCN3CC3)/C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H32N2O/c1-3-27(22-12-16-26(31-2)17-13-22)28(23-8-5-4-6-9-23)24-10-14-25(15-11-24)29-18-7-19-30-20-21-30/h4-6,8-17,29H,3,7,18-21H2,1-2H3/b28-27+