(E)-1-[4-[4-[[(Z)-azanyl(pyrrol-2-ylidene)methyl]amino]phenyl]piperazin-1-yl]-3-(3,5-diheptoxy-4-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-[4-[[(Z)-azanyl(pyrrol-2-ylidene)methyl]amino]phenyl]piperazin-1-yl]-3-(3,5-diheptoxy-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-[4-[[(Z)-amino(pyrrol-2-ylidene)methyl]amino]phenyl]piperazin-1-yl]-3-(3,5-diheptoxy-4-hydroxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[4-[[(Z)-amino(2-pyrrolylidene)methyl]amino]phenyl]-1-piperazinyl]-3-(3,5-diheptoxy-4-hydroxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[4-[[(Z)-amino(pyrrol-2-ylidene)methyl]amino]phenyl]piperazin-1-yl]-3-(3,5-diheptoxy-4-hydroxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-[4-[[(Z)-amino(pyrrol-2-ylidene)methyl]amino]phenyl]piperazino]-3-(3,5-diheptoxy-4-hydroxy-phenyl)prop-2-en-1-one Formula: C38H53N5O4 MolecularWeight: 643.85852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=CC(=C1O)OCCCCCCC)C=CC(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=C4C=CC=N4)N

Isomeric SMILES

CCCCCCCOC1=CC(=CC(=C1O)OCCCCCCC)/C=C/C(=O)N2CCN(CC2)C3=CC=C(C=C3)N/C(=C\4/C=CC=N4)/N

InChI

InChI=1S/C38H53N5O4/c1-3-5-7-9-11-26-46-34-28-30(29-35(37(34)45)47-27-12-10-8-6-4-2)15-20-36(44)43-24-22-42(23-25-43)32-18-16-31(17-19-32)41-38(39)33-14-13-21-40-33/h13-21,28-29,41,45H,3-12,22-27,39H2,1-2H3/b20-15+,38-33-