N,N-diethyl-3-methyl-butanamide; 2,3,22,24-tetrahydroporphyrin

Systemtic Name: N,N-diethyl-3-methyl-butanamide; 2,3,22,24-tetrahydroporphyrin Openeye Name: N,N-diethyl-3-methyl-butanamide; 2,3,22,24-tetrahydroporphyrin CAS Name: N,N-diethyl-3-methylbutanamide; 2,3,22,24-tetrahydroporphyrin IUPAC Name: N,N-diethyl-3-methylbutanamide; 2,3,22,24-tetrahydroporphyrin Traditional Name: N,N-diethyl-3-methyl-butyramide; 2,3,22,24-tetrahydroporphine Formula: C29H35N5O MolecularWeight: 469.6211

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CC(C)C.C1CC2=NC1=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=C2)N5

Isomeric SMILES

CCN(CC)C(=O)CC(C)C.C1CC2=NC1=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=C2)N5

InChI

InChI=1S/C20H16N4.C9H19NO/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;1-5-10(6-2)9(11)7-8(3)4/h1-6,9-12,22-23H,7-8H2;8H,5-7H2,1-4H3