3-[3-(1-azanylethenylamino)propyl]-4,4-dimethyl-1-[4-(6-phenylhexanoyl)piperazin-1-yl]carbonyl-azetidin-2-one

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-4,4-dimethyl-1-[4-(6-phenylhexanoyl)piperazin-1-yl]carbonyl-azetidin-2-one Openeye Name: 3-[3-(1-aminovinylamino)propyl]-4,4-dimethyl-1-[4-(6-phenylhexanoyl)piperazine-1-carbonyl]azetidin-2-one CAS Name: 3-[3-(1-aminoethenylamino)propyl]-4,4-dimethyl-1-[oxo-[4-(1-oxo-6-phenylhexyl)-1-piperazinyl]methyl]-2-azetidinone IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-4,4-dimethyl-1-[4-(6-phenylhexanoyl)piperazine-1-carbonyl]azetidin-2-one Traditional Name: 3-[3-(1-aminovinylamino)propyl]-4,4-dimethyl-1-[4-(6-phenylhexanoyl)piperazine-1-carbonyl]azetidin-2-one Formula: C27H41N5O3 MolecularWeight: 483.64614

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)N1C(=O)N2CCN(CC2)C(=O)CCCCCC3=CC=CC=C3)CCCNC(=C)N)C

Isomeric SMILES

CC1(C(C(=O)N1C(=O)N2CCN(CC2)C(=O)CCCCCC3=CC=CC=C3)CCCNC(=C)N)C

InChI

InChI=1S/C27H41N5O3/c1-21(28)29-16-10-14-23-25(34)32(27(23,2)3)26(35)31-19-17-30(18-20-31)24(33)15-9-5-8-13-22-11-6-4-7-12-22/h4,6-7,11-12,23,29H,1,5,8-10,13-20,28H2,2-3H3