1-(4-phenylphenyl)-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]butan-1-one

Systemtic Name: 1-(4-phenylphenyl)-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]butan-1-one Openeye Name: 1-(4-phenylphenyl)-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]butan-1-one CAS Name: 1-(4-phenylphenyl)-4-[4-[1-(1-pyrrolidinyl)ethyl]phenyl]-1-butanone IUPAC Name: 1-(4-phenylphenyl)-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]butan-1-one Traditional Name: 1-(4-phenylphenyl)-4-[4-(1-pyrrolidinoethyl)phenyl]butan-1-one Formula: C28H31NO MolecularWeight: 397.55184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)CCCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC(C1=CC=C(C=C1)CCCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C28H31NO/c1-22(29-20-5-6-21-29)24-14-12-23(13-15-24)8-7-11-28(30)27-18-16-26(17-19-27)25-9-3-2-4-10-25/h2-4,9-10,12-19,22H,5-8,11,20-21H2,1H3