3-[18-(3-azanyl-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide

Systemtic Name: 3-[18-(3-azanyl-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide Openeye Name: 3-[18-(3-amino-3-oxo-propyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide CAS Name: 3-[18-(3-amino-3-oxopropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide IUPAC Name: 3-[18-(3-amino-3-oxopropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide Traditional Name: 3-[18-(3-amino-3-keto-propyl)-3,8,13,17-tetramethyl-22,23-dihydroporphin-2-yl]propionamide Formula: C30H32N6O2 MolecularWeight: 508.61408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=C(C=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)N)CCC(=O)N)C)C

Isomeric SMILES

CC1=CC2=CC3=C(C=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)N)CCC(=O)N)C)C

InChI

InChI=1S/C30H32N6O2/c1-15-9-20-12-25-17(3)21(5-7-29(31)37)27(35-25)14-28-22(6-8-30(32)38)18(4)26(36-28)13-24-16(2)10-19(34-24)11-23(15)33-20/h9-14,33-34H,5-8H2,1-4H3,(H2,31,37)(H2,32,38)